Search results for: modeling accuracy

Authors: Nadia Allouache

Abstract:

The concept of second law is assumed to be important to optimize the energy losses in heat exchangers. The present study is devoted to the numerical prediction of entropy generation due to heat transfer and friction in a double tube heat exchanger partly or fully filled with a porous medium. The goal of this work is to find the optimal conditions that allow minimizing entropy generation. For this purpose, numerical modeling based on the control volume method is used to describe the flow and heat transfer phenomena in the fluid and the porous medium. Effects of the porous layer thickness, its permeability, and the effective thermal conductivity have been investigated. Unexpectedly, the fully porous heat exchanger yields a lower entropy generation than the partly porous case or the fluid case even if the friction increases the entropy generation.

Keywords: heat exchangers, porous medium, second law approach, turbulent flow

Procedia PDF Downloads 287

Authors: Sannikumar Patel, Brian Nolan, Markus Hofmann, Philip Owende, Kunjan Patel

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Sentiment analysis and opinion mining have become emerging topics of research in recent years but most of the work is focused on data in the English language. A comprehensive research and analysis are essential which considers multiple languages, machine translation techniques, and different classifiers. This paper presents, a comparative analysis of different approaches for multilingual sentiment analysis. These approaches are divided into two parts: one using classification of text without language translation and second using the translation of testing data to a target language, such as English, before classification. The presented research and results are useful for understanding whether machine translation should be used for multilingual sentiment analysis or building language specific sentiment classification systems is a better approach. The effects of language translation techniques, features, and accuracy of various classifiers for multilingual sentiment analysis is also discussed in this study.

Keywords: cross-language analysis, machine learning, machine translation, sentiment analysis

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Authors: Jim Shih-Chiao Chin, Yu Ting Yeh, Shui Lien Chen, Yi-Fen Tsai

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his study is taking Adidas Company as the object, explored the brand awareness directly or indirectly affects brand affect and word of mouth. First, explored the brand awareness on category fit and image fit, and examined the influence of category fit and image fit on extension attitude. This study then designates the effect of extension attitude on brand affect and word-of-mouth. The relationship of brand awareness on brand affect and word-of-mouth was also explored. The study participants are people who have purchased Adidas extension products. A total of 700 valid questionnaires were collected and statistical software AMOS 20.0 was used to examine the research hypotheses by using structural equation modeling (SEM). Finally, theoretical implications and research directions are provided for future studies.

Keywords: brand extension, brand awareness, product category fit, brand image fit, brand affect, word-of-mouth (WOM)

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Authors: Abbas Moradi, Mohsen Safajoy, Reza Yazdanparast

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Analysis of blade-disc dovetail joints is one of the biggest challenges facing designers of aero-engines. To avoid comparatively expensive experimental full-scale tests, numerical methods can be used to simulate loaded disc-blades assembly. Mortar method provides a powerful and flexible tool for solving frictional contact problems. In this study, 2D frictional contact in dovetail has been analysed based on the mortar algorithm. In order to model the friction, the classical law of coulomb and moving friction cone algorithm is applied. The solution is then obtained by solving the resulting set of non-linear equations using an efficient numerical algorithm based on Newton–Raphson Method. The numerical results show that this approach has better convergence rate and accuracy than other proposed numerical methods.

Keywords: computational contact mechanics, dovetail joints, nonlinear FEM, mortar approach

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Authors: Olukunle C. Olawole, Dilip Kumar De

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We have modified Richardson-Dushman equation considering thermal expansion of lattice and change of chemical potential with temperature in material. The corresponding modified Richardson-Dushman (MRDE) equation fits quite well the experimental data of thermoelectronic current density (J) vs T from carbon nanotubes. It provides a unique technique for accurate determination of W0 Fermi energy, EF0 at 0 K and linear thermal expansion coefficient of carbon nano-tube in good agreement with experiment. From the value of EF0 we obtain the charge carrier density in excellent agreement with experiment. We describe application of the equations for the evaluation of performance of concentrated solar thermionic energy converter (STEC) with emitter made of carbon nanotube for future applications.

Keywords: carbon nanotube, modified Richardson-Dushman equation, fermi energy at 0 K, charge carrier density

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Authors: A. M. Gheitaghy, H. Saffari, G. Q. Zhang

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Numerical approach based on the electrical simulation method is proposed to solve a nonlinear transient heat conduction problem with nonlinear boundary for a spherical body. This problem represents a strong nonlinearity in both the governing equation for temperature dependent thermal property and the boundary condition for combined convective and radiative cooling. By analysing the equivalent electrical model using the electrical circuit simulation program HSPICE, transient temperature and heat flux distributions at sphere can be obtained easily and fast. The solutions clearly illustrate the effect of the radiation-conduction parameter Nrc, the Biot number and the linear coefficient of temperature dependent conductivity and heat capacity. On comparing the results with corresponding numerical solutions, the accuracy and efficiency of this computational method are found to be good.

Keywords: convective and radiative boundary, electrical simulation method, nonlinear heat conduction, spherical coordinate

Procedia PDF Downloads 322

Authors: Christian Castro Samaniego, Daniel Icaza Alvarez, Juan Portoviejo Brito

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For this research work, hybrid wind-photovoltaic (SHEF) systems were considered as renewable energy sources that take advantage of wind energy and solar radiation to transform into electrical energy. In the present research work, the feasibility of a wind-photovoltaic hybrid generation system was analyzed for the La Tranca tourist viewpoint of the Chordeleg canton in Ecuador. The research process consisted of the collection of data on solar radiation, temperature, wind speed among others by means of a meteorological station. Simulations were carried out in MATLAB/Simulink based on a mathematical model. In the end, we compared the theoretical radiation-power curves and the measurements made at the site.

Keywords: hybrid system, wind turbine, modeling, simulation, validation, experimental data, panel, Ecuador

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Authors: Habib Ur Rahman Habib

Abstract:

Renewable energy resources are being realized as suitable options in hybrid energy planning for on-grid and micro grid. In this paper, operation, planning and optimal design of on-grid distributed energy resources based hybrid system are investigated. The aim is to minimize the cost of the overall energy system keeping in view the environmental emission and minimum penetration of conventional energy resources. Seven grid connected different case studies including diesel only, diesel-renewable based, and renewable based only are designed to perform economic analysis, operational planning and emission. Sensitivity analysis is implemented to investigate the impact of different parameters on the performance of energy resources.

Keywords: data management, renewable energy, distributed energy, smart grid, micro-grid, modeling, energy planning, design optimization

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Authors: Vahid Anari, Leila Shahmohammadi

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Diagnosing and interpreting manually from a large cohort dataset of immunohistochemically stained tissue of tumors using an optical microscope involves subjectivity and also is tedious for pathologist specialists. Moreover, digital pathology today represents more of an evolution than a revolution in pathology. In this paper, we develop and test an unsupervised algorithm that can automatically enhance the IHC image of a meningioma tumor and classify cells into positive (proliferative) and negative (normal) cells. A dataset including 150 images is used to test the scheme. In addition, a new adaptive color image enhancement method is proposed based on a vector directional filter (VDF) and statistical properties of filtering the window. Since the cells are distinguishable by the human eye, the accuracy and stability of the algorithm are quantitatively compared through application to a wide variety of real images.

Keywords: digital pathology, cell segmentation, immunohistochemically, noise reduction

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Authors: Maatouk Khoukhi

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An accurate prediction of the heat transfer through the envelope components of building is required to achieve an accurate cooling/heating load calculation which leads to precise sizing of the hvac equipment. This also depends on the accuracy of the thermal conductivity of the building insulation material. The proper use of thermal insulation in buildings (k-value) contribute significantly to reducing the HVAC size and consequently the annual energy cost. The first part of this paper presents an overview of building thermal insulation and their applications. The second part presents some results related to the change of the polystyrene insulation thermal conductivity with the change of the operating temperature and the moisture. Best-fit linear relationship of the k-value in term of the operating temperatures and different percentage of moisture content by weight has been established. The thermal conductivity of the polystyrene insulation material increases with the increase of both operating temperature and humidity content.

Keywords: building insulation material, moisture content, operating temperature, thermal conductivity

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Authors: Asma Ben Yaghlane, Mohamed Naceur Azaiez

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In this paper, we treat a model that falls in the area of protecting targeted systems from intelligent threats including terrorism. We introduce the concept of system survivability, in the context of continuous attacks, as the probability that a system under attack will continue operation up to some fixed time t. We define a constant attack rate (CAR) process as an attack on a targeted system that follows an exponential distribution. We consider the superposition of several CAR processes. From the attacker side, we determine the optimal attack strategy that minimizes the system survivability. We also determine the optimal strengthening strategy that maximizes the system survivability under limited defensive resources. We use operations research techniques to identify optimal strategies of each antagonist. Our results may be used as interesting starting points to develop realistic protection strategies against intentional attacks.

Keywords: CAR processes, defense/attack strategies, exponential failure, survivability

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Authors: Sultan Noman Qasem

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This paper presents an evolutionary algorithm for solving multi-objective optimization problems-based artificial neural network (ANN). The multi-objective evolutionary algorithm used in this study is genetic algorithm while ANN used is radial basis function network (RBFN). The proposed algorithm named memetic elitist Pareto non-dominated sorting genetic algorithm-based RBFNN (MEPGAN). The proposed algorithm is implemented on medical diseases problems. The experimental results indicate that the proposed algorithm is viable, and provides an effective means to design multi-objective RBFNs with good generalization capability and compact network structure. This study shows that MEPGAN generates RBFNs coming with an appropriate balance between accuracy and simplicity, comparing to the other algorithms found in literature.

Keywords: radial basis function network, hybrid learning, multi-objective optimization, genetic algorithm

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Authors: Mohamad Baqer Heidari, Hefzollah.Mohammadian

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This brief presents two original implementations of improved accuracy current-mode multiplier/divider circuits. Besides the advantage of their simplicity, these original multiplier/divider structures present the advantage of very small linearity errors that can be obtained as a result of the proposed design techniques (0.75% and 0.9%, respectively, for an extended range of the input currents). The original multiplier/divider circuits permit a facile reconfiguration, the presented structures representing the functional basis for implementing complex function synthesizer circuits. The proposed computational structures are designed for implementing in 0.18-µm CMOS technology, with a low-voltage operation (a supply voltage of 1.2 V). The circuits’ power consumptions are 60 and 75 µW, respectively, while their frequency bandwidths are 79.6 and 59.7 MHz, respectively.

Keywords: analog signal processing, current-mode operation, functional core, multiplier, reconfigurable circuits, industrial package systems

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Authors: Donya Ashtiani Haghighi, Amirali Baniasadi

Abstract:

Coronavirus (COVID-19) disease has spread abruptly all over the world since the end of 2019. Computed tomography (CT) scans and X-ray images are used to detect this disease. Different Deep Neural Network (DNN)-based diagnosis solutions have been developed, mainly based on Convolutional Neural Networks (CNNs), to accelerate the identification of COVID-19 cases. However, CNNs lose important information in intermediate layers and require large datasets. In this paper, Capsule Network (CapsNet) is used. Capsule Network performs better than CNNs for small datasets. Accuracy of 0.9885, f1-score of 0.9883, precision of 0.9859, recall of 0.9908, and Area Under the Curve (AUC) of 0.9948 are achieved on the Capsule-based framework with hyperparameter tuning. Moreover, different dropout rates are investigated to decrease overfitting. Accordingly, a dropout rate of 0.1 shows the best results. Finally, we remove one convolution layer and decrease the number of trainable parameters to 146,752, which is a promising result.

Keywords: capsule network, dropout, hyperparameter tuning, classification

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Authors: G. Karakaya, C. Türker, M. Anaklı

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It is necessary to test to see if optical devices such as camera, night vision devices are working properly. Therefore, a precision biaxial rotary system (gimbal) is required for mounting Unit Under Test, UUT. The Gimbal systems can be utilized for precise positioning of the UUT; hence, optical test can be performed with high accuracy. The weight of UUT, which is placed outside the axis of rotation, causes an off-axis moment to the mounting armature. The off-axis moment can act against the direction of movement for some orientation, thus the electrical motor, which rotates the gimbal axis, has to apply higher level of torque to guide and stabilize the system. Moreover, UUT and its mounting fixture to the gimbal can be changed, which causes change in applied resistance moment to the gimbals electrical motor. In this study, a preloaded spring is added to the gimbal system for minimizing applied off axis moment with the help of four bar mechanism. Two different possible methods for preloading spring are introduced and system optimization is performed to eliminate all moment which is created by off axis weight.

Keywords: adaptive, balancing, gimbal, mechanics, spring

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Authors: Lamyaa Gamal El-Deen Taha, Ashraf Sharawi

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Planet image is a new data source from planet lab. This research is concerned with the assessment of Planet image for land cover mapping. Two pixel based classifiers and one subpixel based classifier were compared. Firstly, rectification of Planet image was performed. Secondly, a comparison between minimum distance, maximum likelihood and neural network classifications for classification of Planet image was performed. Thirdly, the overall accuracy of classification and kappa coefficient were calculated. Results indicate that neural network classification is best followed by maximum likelihood classifier then minimum distance classification for land cover mapping.

Keywords: planet image, land cover mapping, rectification, neural network classification, multilayer perceptron, soft classifiers, hard classifiers

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Authors: Faruk Ortes, Baris Sayin, Tarik Serhat Bozkurt, Cemil Akcay

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The technique using near-surface mounted (NSM) carbon fiber-reinforced polymer (CFRP) composites has proved to be an reliable strengthening technique. However, the effects of different parameters for the use of NSM CFRP are not fully developed yet. This study focuses on the development of a numerical modeling that can predict the behavior of reinforced concrete (RC) beams strengthened with NSM FRP rods exposed to bending loading and the efficiency of various parameters such as CFRP rod size and filling material type are evaluated by using prepared models. For this purpose, three different models are developed and implemented in the ANSYS® software using Finite Element Analysis (FEA). The numerical results indicate that CFRP rod size and filling material type are significant factors in the behavior of the analyzed RC beams.

Keywords: numerical model, FEA, RC beam, NSM technique, CFRP rod, filling material

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Authors: Sungho Kim, Dae Shik Kim, Jong Min Lee

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Fluid catalytic cracking (FCC) process is one of the most important process in modern refinery indusrty. This paper focuses on the fluid catalytic cracking (FCC) process. As the FCC process is difficult to model well, due to its nonlinearities and various interactions between its process variables, rigorous process modeling of whole FCC plant is demanded for control and plant-wide optimization of the plant. In this study, a process design for the FCC plant includes riser reactor, main fractionator, and gas processing unit was developed. A reactor model was described based on four-lumped kinetic scheme. Main fractionator, gas processing unit and other process units are designed to simulate real plant data, using a process flowsheet simulator, Aspen PLUS. The custom reactor model was integrated with the process flowsheet simulator to develop an integrated process model.

Keywords: fluid catalytic cracking, simulation, plant data, process design

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Authors: Yue Hu, Xilu Zhao, Takao Yamaguchi, Manabu Sasajima, Yoshio Koike, Akira Hara

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This study optimized the design parameters of a cone loudspeaker as an example of high flexibility of the product design. We developed an acoustic analysis software program that considers the impact of damping caused by air viscosity. In sound reproduction, it is difficult to optimize each parameter of the loudspeaker design. To overcome the limitation of the design problem in practice, this study presents an acoustic analysis algorithm to optimize the design parameters of the loudspeaker. The material character of cone paper and the loudspeaker edge were the design parameters, and the vibration displacement of the cone paper was the objective function. The results of the analysis showed that the design had high accuracy as compared to the predicted value. These results suggested that although the parameter design is difficult, with experience and intuition, the design can be performed easily using the optimized design found with the acoustic analysis software.

Keywords: air viscosity, design parameters, loudspeaker, optimization

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Authors: J. C. Moctezuma, V. Breña-Medina, Jose Luis Nunez-Yanez, Joseph P. McGeehan

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In this work we make a bifurcation analysis for a single compartment representation of Traub model, one of the most important conductance-based models. The analysis focus in two principal parameters: current and leakage conductance. Study of stable and unstable solutions are explored; also Hop-bifurcation and frequency interpretation when current varies is examined. This study allows having control of neuron dynamics and neuron response when these parameters change. Analysis like this is particularly important for several applications such as: tuning parameters in learning process, neuron excitability tests, measure bursting properties of the neuron, etc. Finally, a hardware implementation results were developed to corroborate these results.

Keywords: Traub model, Pinsky-Rinzel model, Hopf bifurcation, single-compartment models, bifurcation analysis, neuron modeling

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Authors: P. Meethum, C. Suvanjumrat

Abstract:

Many aluminum motorcycle parts produced by a high pressure die casting. Some parts such as fuel caps were a thin and complex shape. This part risked for porosities and blisters on surface if it only depended on an experience of mold makers for mold design. This research attempted to use CAST-DESIGNER software simulated the high pressure die casting process with the same process parameters of a motorcycle fuel cap production. The simulated results were compared with fuel cap products and expressed the same porosity and blister locations on cap surface. An average of absolute difference of simulated results was obtained 0.094 mm when compared the simulated porosity and blister defect sizes on the fuel cap surfaces with the experimental micro photography. This comparison confirmed an accuracy of software and will use the setting parameters to improve fuel cap molds in the further work.

Keywords: aluminum, die casting, fuel cap, motorcycle

Procedia PDF Downloads 359

Authors: R. R. Galiev, I. I. Lykov, A. E. Shitikov, I. A. Bilenko

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Dual-comb interferometry is based on the mixing of two optical frequency combs with slightly different lines spacing which results in the mapping of the optical spectrum into the radio-frequency domain for future digitizing and numerical processing. The dual-comb approach enables diverse applications, including metrology, fast high-precision spectroscopy, and distance range. Ordinary frequency-modulated continuous-wave (FMCW) laser-based Light Identification Detection and Ranging systems (LIDARs) suffer from two main disadvantages: slow and unreliable mechanical, spatial scan and a rather wide linewidth of conventional lasers, which limits speed measurement resolution. Dual-comb distance measurements with Allan deviations down to 12 nanometers at averaging times of 13 microseconds, along with ultrafast ranging at acquisition rates of 100 megahertz, allowing for an in-flight sampling of gun projectiles moving at 150 meters per second, was previously demonstrated. Nevertheless, pump lasers with EDFA amplifiers made the device bulky and expensive. An alternative approach is a direct coupling of the laser to a reference microring cavity. Backscattering can tune the laser to the eigenfrequency of the cavity via the so-called self-injection locked (SIL) effect. Moreover, the nonlinearity of the cavity allows a solitonic frequency comb generation in the very same cavity. In this work, we developed a fully integrated, power-efficient, electrically driven dual-micro comb source based on the semiconductor lasers SIL to high-quality integrated Si3N4 microresonators. We managed to obtain robust 1400-1700 nm combs generation with a 150 GHz or 1 THz lines spacing and measure less than a 1 kHz Lorentzian withs of stable, MHz spaced beat notes in a GHz band using two separated chips, each pumped by its own, self-injection locked laser. A deep investigation of the SIL dynamic allows us to find out the turn-key operation regime even for affordable Fabry-Perot multifrequency lasers used as a pump. It is important that such lasers are usually more powerful than DFB ones, which were also tested in our experiments. In order to test the advantages of the proposed techniques, we experimentally measured a minimum detectable speed of a reflective object. It has been shown that the narrow line of the laser locked to the microresonator provides markedly better velocity accuracy, showing velocity resolution down to 16 nm/s, while the no-SIL diode laser only allowed 160 nm/s with good accuracy. The results obtained are in agreement with the estimations and open up ways to develop LIDARs based on compact and cheap lasers. Our implementation uses affordable components, including semiconductor laser diodes and commercially available silicon nitride photonic circuits with microresonators.

Keywords: dual-comb spectroscopy, LIDAR, optical microresonator, self-injection locking

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Authors: V. G. Rifert, V. V. Gorin, V. V. Sereda, V. V. Treputnev

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The analysis of heat transfer design methods in condensing inside plain tubes under existing influence of shear stress is presented in this paper. The existing discrepancy in more than 30-50% between rating heat transfer coefficients and experimental data has been noted. The analysis of existing theoretical and semi-empirical methods of heat transfer prediction is given. The influence of a precise definition concerning boundaries of phase flow (it is especially important in condensing inside horizontal tubes), shear stress (friction coefficient) and heat flux on design of heat transfer is shown. The substantiation of boundary conditions of the values of parameters, influencing accuracy of rated relationships, is given. More correct relationships for heat transfer prediction, which showed good convergence with experiments made by different authors, are substantiated in this work.

Keywords: film condensation, heat transfer, plain tube, shear stress

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Authors: Filipe Cardoso de Oliveira, Lino Marcos da Silva, Ademar Nogueira do Nascimento, Cristiano Hora de Oliveira Fontes

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This article presents a mathematical formulation for the production Break-Even Point problem in a non-homogeneous system. The optimization problem aims to obtain the composition of the best product mix in a non-homogeneous industrial plant, with the lowest cost until the breakeven point is reached. The problem constraints represent real limitations of a generic non-homogeneous industrial plant for n different products. The proposed model is able to solve the equilibrium point problem simultaneously for all products, unlike the existing approaches that propose a resolution in a sequential way, considering each product in isolation and providing a sub-optimal solution to the problem. The results indicate that the product mix found through the proposed model has economical advantages over the traditional approach used.

Keywords: branch and bound, break-even point, non-homogeneous production system, integer linear programming, management accounting

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Authors: Carlos Caro, Ernest Bladé, Pedro Acosta, Camilo Lesmes

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The drying-wet process is one of the topics to be more careful in distributed hydrological modeling using finite volume schemes as a means of solving the equations of Saint Venant. In a hydrologic and hydraulic computer model, surface flow phenomena depend mainly on the different flow accumulation and subsequent runoff generation. These accumulations are generated by routing, cell by cell, from the heights of water, which begin to appear due to the rain at each instant of time. Determine when it is considered a dry cell and when considered wet to include in the full calculation is an issue that directly affects the quantification of direct runoff or generation of flow at the end of a zone of contribution by accumulations flow generated from cells or finite volume.

Keywords: hydrology, transport processes, hydrological modelling, finite volume schemes

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Authors: Armana Sabiha Huq, Tahmina Rahman Chowdhury

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In this paper, based on the stated preference experiment, the service quality of Bangladesh Railway has been assessed, and particular importance has been given to investigate if there exists a relationship between service quality and safety. For investigation purposes, environmental and organizational factors were assumed to determine the safety performance of the railway. Data collected from the survey has been analyzed by importance-performance analysis (IPA). In this paper, a modification of the well-known importance-performance analysis (IPA) has been done by adopting the importance of the weights determined through a structural equation modeling (SEM) approach and by plotting the gap between importance and performance on a visual graph. It has been found that there exists a relationship between safety and serviceability to some extent. Limited resources are an important factor to improve the safety and serviceability condition of the BD railway. Moreover, it is observed that the limited resources available to monitor and improve the safety performance of railway.

Keywords: importance-performance analysis, GAP-IPA, SEM, serviceability, safety, factor analysis

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Authors: Mohamed A. Alsharif, Peter A. Wallace, Donald M. Hepburn, Chengke Zhou

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Worldwide, most PILC MV underground cables in use are approaching the end of their design life; hence, failures are likely to increase. This paper studies the electric field and potential distributions within the PILC insulted cable containing common void-defect. The finite element model of the performance of the belted PILC MV underground cable is presented. The variation of the electric field stress within the cable using the Finite Element Method (FEM) is concentrated. The effects of the void-defect within the insulation are given. Outcomes will lead to deeper understanding of the modeling of Paper Insulated Lead Covered (PILC) and electric field response of belted PILC insulted cable containing void defect.

Keywords: MV PILC cables, finite element model/COMSOL multiphysics, electric field stress, partial discharge degradation

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Authors: Rogelio Luck, Yucheng Liu

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This paper proposes the continuous-time singular value decomposition (SVD) for the impulse response function, a special kind of Green’s functions e⁻⁽ᵗ⁻ ᵀ⁾, in order to find a set of singular functions and singular values so that the convolutions of such function with the set of singular functions on a specified domain are the solutions to the inhomogeneous differential equations for those singular functions. A numerical example was illustrated to verify the proposed method. Besides the continuous-time SVD, a discrete-time SVD is also presented for the impulse response function, which is modeled using a Toeplitz matrix in the discrete system. The proposed method has broad applications in signal processing, dynamic system analysis, acoustic analysis, thermal analysis, as well as macroeconomic modeling.

Keywords: singular value decomposition, impulse response function, Green’s function , Toeplitz matrix , Hankel matrix

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Authors: S. B. Provost, Susan Sheng

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An alternative bivariate density estimation methodology is introduced in this presentation. The proposed approach involves estimating the density function associated with the marginal distribution of each of the two variables by means of the saddlepoint approximation technique and applying a bivariate polynomial adjustment to the product of these density estimates. Since the saddlepoint approximation is utilized in the context of density estimation, such estimates are determined from empirical cumulant-generating functions. In the univariate case, the saddlepoint density estimate is itself adjusted by a polynomial. Given a set of observations, the coefficients of the polynomial adjustments are obtained from the sample moments. Several illustrative applications of the proposed methodology shall be presented. Since this approach relies essentially on a determinate number of sample moments, it is particularly well suited for modeling massive data sets.

Keywords: density estimation, empirical cumulant-generating function, moments, saddlepoint approximation

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Authors: Milu T. Cherian, Sergio C. Chai, Morgan A. Casal, Taosheng Chen

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This study aims to use CINPA1, a recently discovered small-molecule inhibitor of the xenobiotic receptor CAR (constitutive androstane receptor) for understanding the binding modes of CAR and to guide CAR-mediated gene expression profiling studies in human primary hepatocytes. CAR and PXR are xenobiotic sensors that respond to drugs and endobiotics by modulating the expression of metabolic genes that enhance detoxification and elimination. Elevated levels of drug metabolizing enzymes and efflux transporters resulting from CAR activation promote the elimination of chemotherapeutic agents leading to reduced therapeutic effectiveness. Multidrug resistance in tumors after chemotherapy could be associated with errant CAR activity, as shown in the case of neuroblastoma. CAR inhibitors used in combination with existing chemotherapeutics could be utilized to attenuate multidrug resistance and resensitize chemo-resistant cancer cells. CAR and PXR have many overlapping modulating ligands as well as many overlapping target genes which confounded attempts to understand and regulate receptor-specific activity. Through a directed screening approach we previously identified a new CAR inhibitor, CINPA1, which is novel in its ability to inhibit CAR function without activating PXR. The cellular mechanisms by which CINPA1 inhibits CAR function were also extensively examined along with its pharmacokinetic properties. CINPA1 binding was shown to change CAR-coregulator interactions as well as modify CAR recruitment at DNA response elements of regulated genes. CINPA1 was shown to be broken down in the liver to form two, mostly inactive, metabolites. The structure-activity differences of CINPA1 and its metabolites were used to guide computational modeling using the CAR-LBD structure. To rationalize how ligand binding may lead to different CAR pharmacology, an analysis of the docked poses of human CAR bound to CITCO (a CAR activator) vs. CINPA1 or the metabolites was conducted. From our modeling, strong hydrogen bonding of CINPA1 with N165 and H203 in the CAR-LBD was predicted. These residues were validated to be important for CINPA1 binding using single amino-acid CAR mutants in a CAR-mediated functional reporter assay. Also predicted were residues making key hydrophobic interactions with CINPA1 but not the inactive metabolites. Some of these hydrophobic amino acids were also identified and additionally, the differential coregulator interactions of these mutants were determined in mammalian two-hybrid systems. CINPA1 represents an excellent starting point for future optimization into highly relevant probe molecules to study the function of the CAR receptor in normal- and pathophysiology, and possible development of therapeutics (for e.g. use for resensitizing chemoresistant neuroblastoma cells).

Keywords: antagonist, chemoresistance, constitutive androstane receptor (CAR), multi-drug resistance, structure activity relationship (SAR), xenobiotic resistance

Procedia PDF Downloads 271